USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 454 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 ASN : amide:sc= 0.454 K(o=1.8,f=0.63) USER MOD Set 1.2: A 58 ASN : amide:sc= 0.294 K(o=1.8,f=0.63) USER MOD Set 1.3: A 59 GLN : amide:sc= 1.01 K(o=1.8,f=-6.1!) USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.0261 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= 0.631 K(o=0.63,f=-2.2!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 81:sc= 0.714 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0.252 K(o=0.25,f=-1.4) USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 0.979 (180deg=0.806) USER MOD Single : A 20 CYS SG : rot 40:sc= 0.502 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 66:sc= 0.443 USER MOD Single : A 26 THR OG1 : rot -75:sc= 1.17 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 33 SER OG : rot -163:sc= 1.11 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc=-0.00144 X(o=-0.0014,f=-0.0014) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.029 USER MOD Single : A 48 HIS : no HE2:sc= 0.26 K(o=0.26,f=-1.9) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.273 8.831 -3.089 1.00 0.00 N ATOM 2 CA GLY A 1 4.392 7.350 -3.070 1.00 0.00 C ATOM 3 C GLY A 1 3.046 6.658 -2.834 1.00 0.00 C ATOM 4 O GLY A 1 2.188 7.226 -2.153 1.00 0.00 O ATOM 0 H1 GLY A 1 5.018 9.247 -2.494 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.377 9.175 -4.065 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.341 9.109 -2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.811 7.010 -4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.091 7.055 -2.288 1.00 0.00 H new ATOM 10 N PRO A 2 2.844 5.428 -3.359 1.00 0.00 N ATOM 11 CA PRO A 2 1.547 4.742 -3.364 1.00 0.00 C ATOM 12 C PRO A 2 1.100 4.224 -1.988 1.00 0.00 C ATOM 13 O PRO A 2 -0.098 4.038 -1.786 1.00 0.00 O ATOM 14 CB PRO A 2 1.704 3.592 -4.367 1.00 0.00 C ATOM 15 CG PRO A 2 3.196 3.268 -4.309 1.00 0.00 C ATOM 16 CD PRO A 2 3.826 4.644 -4.106 1.00 0.00 C ATOM 0 HA PRO A 2 0.760 5.443 -3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 2 1.095 2.731 -4.089 1.00 0.00 H new ATOM 0 HB3 PRO A 2 1.397 3.889 -5.370 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.432 2.589 -3.490 1.00 0.00 H new ATOM 0 HG3 PRO A 2 3.544 2.794 -5.227 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.764 4.567 -3.556 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.055 5.114 -5.063 1.00 0.00 H new ATOM 24 N HIS A 3 2.014 4.030 -1.025 1.00 0.00 N ATOM 25 CA HIS A 3 1.684 3.521 0.320 1.00 0.00 C ATOM 26 C HIS A 3 0.750 4.471 1.105 1.00 0.00 C ATOM 27 O HIS A 3 0.043 4.037 2.016 1.00 0.00 O ATOM 28 CB HIS A 3 3.004 3.239 1.070 1.00 0.00 C ATOM 29 CG HIS A 3 2.888 2.325 2.274 1.00 0.00 C ATOM 30 ND1 HIS A 3 1.897 2.320 3.232 1.00 0.00 N ATOM 31 CD2 HIS A 3 3.780 1.345 2.631 1.00 0.00 C ATOM 32 CE1 HIS A 3 2.175 1.362 4.130 1.00 0.00 C ATOM 33 NE2 HIS A 3 3.321 0.733 3.808 1.00 0.00 N ATOM 0 H HIS A 3 3.007 4.222 -1.155 1.00 0.00 H new ATOM 0 HA HIS A 3 1.118 2.595 0.222 1.00 0.00 H new ATOM 0 HB2 HIS A 3 3.713 2.799 0.369 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.426 4.189 1.396 1.00 0.00 H new ATOM 0 HD1 HIS A 3 1.088 2.941 3.255 1.00 0.00 H new ATOM 0 HD2 HIS A 3 4.683 1.088 2.097 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.565 1.128 4.990 1.00 0.00 H new ATOM 41 N MET A 4 0.650 5.749 0.715 1.00 0.00 N ATOM 42 CA MET A 4 -0.324 6.709 1.266 1.00 0.00 C ATOM 43 C MET A 4 -1.791 6.345 0.948 1.00 0.00 C ATOM 44 O MET A 4 -2.713 6.943 1.494 1.00 0.00 O ATOM 45 CB MET A 4 0.020 8.131 0.805 1.00 0.00 C ATOM 46 CG MET A 4 1.391 8.570 1.335 1.00 0.00 C ATOM 47 SD MET A 4 1.768 10.316 1.042 1.00 0.00 S ATOM 48 CE MET A 4 3.351 10.410 1.920 1.00 0.00 C ATOM 0 H MET A 4 1.251 6.154 -0.003 1.00 0.00 H new ATOM 0 HA MET A 4 -0.244 6.659 2.352 1.00 0.00 H new ATOM 0 HB2 MET A 4 0.018 8.173 -0.284 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.746 8.824 1.153 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.435 8.374 2.406 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.163 7.959 0.867 1.00 0.00 H new ATOM 0 HE1 MET A 4 3.746 11.424 1.851 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.202 10.150 2.968 1.00 0.00 H new ATOM 0 HE3 MET A 4 4.058 9.713 1.470 1.00 0.00 H new ATOM 58 N SER A 5 -2.022 5.347 0.090 1.00 0.00 N ATOM 59 CA SER A 5 -3.348 4.744 -0.140 1.00 0.00 C ATOM 60 C SER A 5 -3.786 3.829 1.026 1.00 0.00 C ATOM 61 O SER A 5 -4.962 3.468 1.119 1.00 0.00 O ATOM 62 CB SER A 5 -3.340 3.904 -1.434 1.00 0.00 C ATOM 63 OG SER A 5 -2.793 4.597 -2.550 1.00 0.00 O ATOM 0 H SER A 5 -1.285 4.925 -0.475 1.00 0.00 H new ATOM 0 HA SER A 5 -4.054 5.571 -0.221 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.767 2.993 -1.264 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.360 3.600 -1.668 1.00 0.00 H new ATOM 0 HG SER A 5 -1.815 4.551 -2.516 1.00 0.00 H new ATOM 69 N TYR A 6 -2.849 3.438 1.904 1.00 0.00 N ATOM 70 CA TYR A 6 -3.042 2.467 2.991 1.00 0.00 C ATOM 71 C TYR A 6 -2.550 2.972 4.366 1.00 0.00 C ATOM 72 O TYR A 6 -3.071 2.550 5.403 1.00 0.00 O ATOM 73 CB TYR A 6 -2.288 1.176 2.624 1.00 0.00 C ATOM 74 CG TYR A 6 -2.639 0.604 1.260 1.00 0.00 C ATOM 75 CD1 TYR A 6 -3.878 -0.035 1.058 1.00 0.00 C ATOM 76 CD2 TYR A 6 -1.734 0.732 0.188 1.00 0.00 C ATOM 77 CE1 TYR A 6 -4.216 -0.545 -0.210 1.00 0.00 C ATOM 78 CE2 TYR A 6 -2.064 0.227 -1.084 1.00 0.00 C ATOM 79 CZ TYR A 6 -3.307 -0.411 -1.287 1.00 0.00 C ATOM 80 OH TYR A 6 -3.625 -0.896 -2.520 1.00 0.00 O ATOM 0 H TYR A 6 -1.898 3.805 1.874 1.00 0.00 H new ATOM 0 HA TYR A 6 -4.114 2.297 3.091 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.217 1.375 2.655 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.494 0.422 3.384 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.572 -0.134 1.880 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -0.783 1.220 0.343 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.166 -1.037 -0.361 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -1.367 0.327 -1.903 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.889 -0.718 -3.142 1.00 0.00 H new ATOM 90 N ASP A 7 -1.558 3.872 4.390 1.00 0.00 N ATOM 91 CA ASP A 7 -1.050 4.535 5.596 1.00 0.00 C ATOM 92 C ASP A 7 -2.115 5.428 6.265 1.00 0.00 C ATOM 93 O ASP A 7 -2.994 5.978 5.598 1.00 0.00 O ATOM 94 CB ASP A 7 0.199 5.352 5.226 1.00 0.00 C ATOM 95 CG ASP A 7 0.846 6.009 6.455 1.00 0.00 C ATOM 96 OD1 ASP A 7 1.588 5.303 7.179 1.00 0.00 O ATOM 97 OD2 ASP A 7 0.587 7.208 6.705 1.00 0.00 O ATOM 0 H ASP A 7 -1.072 4.167 3.543 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.789 3.770 6.327 1.00 0.00 H new ATOM 0 HB2 ASP A 7 0.926 4.702 4.739 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.073 6.123 4.505 1.00 0.00 H new ATOM 102 N ALA A 8 -2.016 5.609 7.589 1.00 0.00 N ATOM 103 CA ALA A 8 -2.971 6.377 8.395 1.00 0.00 C ATOM 104 C ALA A 8 -3.195 7.829 7.916 1.00 0.00 C ATOM 105 O ALA A 8 -4.229 8.416 8.235 1.00 0.00 O ATOM 106 CB ALA A 8 -2.491 6.338 9.852 1.00 0.00 C ATOM 0 H ALA A 8 -1.253 5.216 8.140 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.950 5.910 8.287 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -3.182 6.902 10.478 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.452 5.304 10.195 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.497 6.780 9.920 1.00 0.00 H new ATOM 112 N ASN A 9 -2.285 8.399 7.117 1.00 0.00 N ATOM 113 CA ASN A 9 -2.469 9.711 6.486 1.00 0.00 C ATOM 114 C ASN A 9 -3.532 9.738 5.361 1.00 0.00 C ATOM 115 O ASN A 9 -3.895 10.824 4.904 1.00 0.00 O ATOM 116 CB ASN A 9 -1.114 10.266 6.013 1.00 0.00 C ATOM 117 CG ASN A 9 -0.610 9.719 4.674 1.00 0.00 C ATOM 118 OD1 ASN A 9 -1.016 8.670 4.188 1.00 0.00 O ATOM 119 ND2 ASN A 9 0.282 10.443 4.021 1.00 0.00 N ATOM 0 H ASN A 9 -1.394 7.959 6.889 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.875 10.368 7.255 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.192 11.351 5.937 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -0.367 10.053 6.777 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.630 10.128 3.115 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.622 11.317 4.422 1.00 0.00 H new ATOM 126 N VAL A 10 -4.025 8.578 4.909 1.00 0.00 N ATOM 127 CA VAL A 10 -5.087 8.439 3.897 1.00 0.00 C ATOM 128 C VAL A 10 -6.362 9.216 4.274 1.00 0.00 C ATOM 129 O VAL A 10 -6.716 9.309 5.450 1.00 0.00 O ATOM 130 CB VAL A 10 -5.404 6.944 3.630 1.00 0.00 C ATOM 131 CG1 VAL A 10 -6.129 6.251 4.799 1.00 0.00 C ATOM 132 CG2 VAL A 10 -6.220 6.746 2.341 1.00 0.00 C ATOM 0 H VAL A 10 -3.686 7.678 5.248 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.709 8.882 2.975 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.428 6.472 3.516 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.319 5.209 4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.506 6.298 5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.076 6.756 4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.418 5.684 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.165 7.284 2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.656 7.130 1.491 1.00 0.00 H new ATOM 142 N ILE A 11 -7.061 9.763 3.272 1.00 0.00 N ATOM 143 CA ILE A 11 -8.322 10.506 3.433 1.00 0.00 C ATOM 144 C ILE A 11 -9.348 10.153 2.336 1.00 0.00 C ATOM 145 O ILE A 11 -9.004 9.540 1.321 1.00 0.00 O ATOM 146 CB ILE A 11 -8.000 12.022 3.532 1.00 0.00 C ATOM 147 CG1 ILE A 11 -8.864 12.674 4.630 1.00 0.00 C ATOM 148 CG2 ILE A 11 -8.146 12.764 2.191 1.00 0.00 C ATOM 149 CD1 ILE A 11 -8.448 14.116 4.956 1.00 0.00 C ATOM 0 H ILE A 11 -6.759 9.701 2.300 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.811 10.208 4.361 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.948 12.109 3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.907 12.667 4.313 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.802 12.072 5.536 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.907 13.818 2.331 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.464 12.331 1.459 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.171 12.669 1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.097 14.514 5.736 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.415 14.127 5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.537 14.732 4.061 1.00 0.00 H new ATOM 161 N ASP A 12 -10.604 10.576 2.518 1.00 0.00 N ATOM 162 CA ASP A 12 -11.668 10.494 1.511 1.00 0.00 C ATOM 163 C ASP A 12 -12.502 11.784 1.532 1.00 0.00 C ATOM 164 O ASP A 12 -12.977 12.207 2.589 1.00 0.00 O ATOM 165 CB ASP A 12 -12.559 9.271 1.777 1.00 0.00 C ATOM 166 CG ASP A 12 -13.420 8.883 0.563 1.00 0.00 C ATOM 167 OD1 ASP A 12 -14.147 9.751 0.032 1.00 0.00 O ATOM 168 OD2 ASP A 12 -13.423 7.682 0.198 1.00 0.00 O ATOM 0 H ASP A 12 -10.917 10.996 3.393 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.219 10.382 0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.932 8.425 2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.210 9.480 2.626 1.00 0.00 H new ATOM 173 N ASP A 13 -12.699 12.400 0.365 1.00 0.00 N ATOM 174 CA ASP A 13 -13.476 13.631 0.212 1.00 0.00 C ATOM 175 C ASP A 13 -14.934 13.476 0.681 1.00 0.00 C ATOM 176 O ASP A 13 -15.502 14.428 1.217 1.00 0.00 O ATOM 177 CB ASP A 13 -13.414 14.075 -1.255 1.00 0.00 C ATOM 178 CG ASP A 13 -14.027 15.467 -1.465 1.00 0.00 C ATOM 179 OD1 ASP A 13 -13.414 16.464 -1.010 1.00 0.00 O ATOM 180 OD2 ASP A 13 -15.094 15.568 -2.118 1.00 0.00 O ATOM 0 H ASP A 13 -12.317 12.052 -0.514 1.00 0.00 H new ATOM 0 HA ASP A 13 -13.036 14.395 0.853 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -12.376 14.083 -1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.941 13.350 -1.875 1.00 0.00 H new ATOM 185 N GLU A 14 -15.520 12.277 0.563 1.00 0.00 N ATOM 186 CA GLU A 14 -16.857 11.980 1.090 1.00 0.00 C ATOM 187 C GLU A 14 -16.859 11.972 2.622 1.00 0.00 C ATOM 188 O GLU A 14 -17.728 12.581 3.248 1.00 0.00 O ATOM 189 CB GLU A 14 -17.385 10.637 0.554 1.00 0.00 C ATOM 190 CG GLU A 14 -17.579 10.604 -0.971 1.00 0.00 C ATOM 191 CD GLU A 14 -18.615 11.630 -1.458 1.00 0.00 C ATOM 192 OE1 GLU A 14 -19.796 11.565 -1.041 1.00 0.00 O ATOM 193 OE2 GLU A 14 -18.264 12.518 -2.269 1.00 0.00 O ATOM 0 H GLU A 14 -15.078 11.484 0.098 1.00 0.00 H new ATOM 0 HA GLU A 14 -17.522 12.772 0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -16.691 9.846 0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.337 10.414 1.036 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -16.624 10.798 -1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -17.894 9.605 -1.272 1.00 0.00 H new ATOM 200 N ALA A 15 -15.861 11.341 3.250 1.00 0.00 N ATOM 201 CA ALA A 15 -15.730 11.354 4.703 1.00 0.00 C ATOM 202 C ALA A 15 -15.432 12.763 5.224 1.00 0.00 C ATOM 203 O ALA A 15 -16.089 13.199 6.161 1.00 0.00 O ATOM 204 CB ALA A 15 -14.660 10.341 5.121 1.00 0.00 C ATOM 0 H ALA A 15 -15.132 10.814 2.769 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.677 11.060 5.154 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.558 10.347 6.206 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.953 9.345 4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.707 10.610 4.666 1.00 0.00 H new ATOM 210 N VAL A 16 -14.523 13.510 4.595 1.00 0.00 N ATOM 211 CA VAL A 16 -14.232 14.916 4.957 1.00 0.00 C ATOM 212 C VAL A 16 -15.498 15.786 4.878 1.00 0.00 C ATOM 213 O VAL A 16 -15.794 16.520 5.821 1.00 0.00 O ATOM 214 CB VAL A 16 -13.105 15.503 4.077 1.00 0.00 C ATOM 215 CG1 VAL A 16 -12.893 17.009 4.310 1.00 0.00 C ATOM 216 CG2 VAL A 16 -11.772 14.800 4.368 1.00 0.00 C ATOM 0 H VAL A 16 -13.961 13.165 3.817 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.885 14.921 5.990 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.419 15.343 3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.090 17.367 3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.812 17.546 4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.626 17.182 5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.991 15.227 3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.509 14.938 5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.868 13.735 4.155 1.00 0.00 H new ATOM 226 N LYS A 17 -16.295 15.649 3.811 1.00 0.00 N ATOM 227 CA LYS A 17 -17.604 16.306 3.668 1.00 0.00 C ATOM 228 C LYS A 17 -18.569 15.926 4.810 1.00 0.00 C ATOM 229 O LYS A 17 -19.174 16.811 5.416 1.00 0.00 O ATOM 230 CB LYS A 17 -18.163 15.944 2.279 1.00 0.00 C ATOM 231 CG LYS A 17 -19.563 16.515 1.986 1.00 0.00 C ATOM 232 CD LYS A 17 -20.048 16.168 0.565 1.00 0.00 C ATOM 233 CE LYS A 17 -20.164 14.647 0.358 1.00 0.00 C ATOM 234 NZ LYS A 17 -20.615 14.290 -1.012 1.00 0.00 N ATOM 0 H LYS A 17 -16.046 15.070 3.009 1.00 0.00 H new ATOM 0 HA LYS A 17 -17.489 17.387 3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -17.471 16.304 1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.201 14.858 2.188 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -20.273 16.125 2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -19.544 17.598 2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -21.017 16.634 0.387 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -19.355 16.583 -0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -19.197 14.183 0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -20.865 14.237 1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -20.547 13.260 -1.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -21.602 14.591 -1.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -20.012 14.768 -1.712 1.00 0.00 H new ATOM 248 N GLU A 18 -18.669 14.637 5.153 1.00 0.00 N ATOM 249 CA GLU A 18 -19.490 14.177 6.281 1.00 0.00 C ATOM 250 C GLU A 18 -18.963 14.697 7.631 1.00 0.00 C ATOM 251 O GLU A 18 -19.742 15.267 8.385 1.00 0.00 O ATOM 252 CB GLU A 18 -19.603 12.641 6.283 1.00 0.00 C ATOM 253 CG GLU A 18 -20.478 12.081 5.151 1.00 0.00 C ATOM 254 CD GLU A 18 -21.956 12.471 5.305 1.00 0.00 C ATOM 255 OE1 GLU A 18 -22.668 11.846 6.127 1.00 0.00 O ATOM 256 OE2 GLU A 18 -22.420 13.391 4.591 1.00 0.00 O ATOM 0 H GLU A 18 -18.186 13.886 4.660 1.00 0.00 H new ATOM 0 HA GLU A 18 -20.488 14.595 6.148 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -18.604 12.213 6.203 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -20.013 12.318 7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -20.107 12.447 4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -20.392 10.995 5.132 1.00 0.00 H new ATOM 263 N VAL A 19 -17.659 14.593 7.920 1.00 0.00 N ATOM 264 CA VAL A 19 -17.017 15.115 9.151 1.00 0.00 C ATOM 265 C VAL A 19 -17.304 16.613 9.331 1.00 0.00 C ATOM 266 O VAL A 19 -17.558 17.055 10.450 1.00 0.00 O ATOM 267 CB VAL A 19 -15.485 14.876 9.154 1.00 0.00 C ATOM 268 CG1 VAL A 19 -14.819 15.444 10.422 1.00 0.00 C ATOM 269 CG2 VAL A 19 -15.082 13.390 9.067 1.00 0.00 C ATOM 0 H VAL A 19 -16.998 14.133 7.294 1.00 0.00 H new ATOM 0 HA VAL A 19 -17.450 14.564 9.986 1.00 0.00 H new ATOM 0 HB VAL A 19 -15.140 15.392 8.258 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.746 15.256 10.385 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -14.997 16.518 10.477 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -15.242 14.961 11.303 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.995 13.307 9.074 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -15.493 12.851 9.921 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -15.472 12.961 8.144 1.00 0.00 H new ATOM 279 N CYS A 20 -17.321 17.391 8.244 1.00 0.00 N ATOM 280 CA CYS A 20 -17.614 18.825 8.292 1.00 0.00 C ATOM 281 C CYS A 20 -19.014 19.144 8.868 1.00 0.00 C ATOM 282 O CYS A 20 -19.168 20.119 9.603 1.00 0.00 O ATOM 283 CB CYS A 20 -17.388 19.394 6.880 1.00 0.00 C ATOM 284 SG CYS A 20 -17.499 21.206 6.916 1.00 0.00 S ATOM 0 H CYS A 20 -17.131 17.042 7.304 1.00 0.00 H new ATOM 0 HA CYS A 20 -16.937 19.314 8.993 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -16.410 19.089 6.508 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -18.131 18.989 6.193 1.00 0.00 H new ATOM 0 HG CYS A 20 -16.929 21.654 7.995 1.00 0.00 H new ATOM 290 N GLU A 21 -20.015 18.296 8.602 1.00 0.00 N ATOM 291 CA GLU A 21 -21.370 18.433 9.152 1.00 0.00 C ATOM 292 C GLU A 21 -21.512 17.704 10.504 1.00 0.00 C ATOM 293 O GLU A 21 -21.929 18.297 11.499 1.00 0.00 O ATOM 294 CB GLU A 21 -22.387 17.917 8.120 1.00 0.00 C ATOM 295 CG GLU A 21 -23.836 18.159 8.565 1.00 0.00 C ATOM 296 CD GLU A 21 -24.833 17.770 7.464 1.00 0.00 C ATOM 297 OE1 GLU A 21 -25.092 18.598 6.558 1.00 0.00 O ATOM 298 OE2 GLU A 21 -25.374 16.641 7.503 1.00 0.00 O ATOM 0 H GLU A 21 -19.906 17.486 7.992 1.00 0.00 H new ATOM 0 HA GLU A 21 -21.568 19.487 9.350 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -22.215 18.411 7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -22.231 16.850 7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -24.043 17.581 9.466 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -23.968 19.210 8.823 1.00 0.00 H new ATOM 305 N LYS A 22 -21.138 16.421 10.557 1.00 0.00 N ATOM 306 CA LYS A 22 -21.316 15.519 11.704 1.00 0.00 C ATOM 307 C LYS A 22 -20.509 15.956 12.944 1.00 0.00 C ATOM 308 O LYS A 22 -21.007 15.877 14.069 1.00 0.00 O ATOM 309 CB LYS A 22 -20.905 14.115 11.215 1.00 0.00 C ATOM 310 CG LYS A 22 -21.105 12.952 12.199 1.00 0.00 C ATOM 311 CD LYS A 22 -22.551 12.667 12.634 1.00 0.00 C ATOM 312 CE LYS A 22 -23.507 12.481 11.443 1.00 0.00 C ATOM 313 NZ LYS A 22 -24.887 12.149 11.889 1.00 0.00 N ATOM 0 H LYS A 22 -20.683 15.961 9.768 1.00 0.00 H new ATOM 0 HA LYS A 22 -22.353 15.534 12.038 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -21.468 13.893 10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -19.852 14.147 10.937 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -20.700 12.047 11.746 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -20.513 13.154 13.092 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -22.569 11.769 13.252 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -22.907 13.489 13.255 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -23.527 13.394 10.847 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -23.133 11.687 10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -25.501 12.031 11.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -24.872 11.265 12.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -25.254 12.919 12.485 1.00 0.00 H new ATOM 327 N PHE A 23 -19.272 16.430 12.733 1.00 0.00 N ATOM 328 CA PHE A 23 -18.348 16.886 13.781 1.00 0.00 C ATOM 329 C PHE A 23 -18.234 18.424 13.892 1.00 0.00 C ATOM 330 O PHE A 23 -17.542 18.923 14.781 1.00 0.00 O ATOM 331 CB PHE A 23 -16.984 16.213 13.543 1.00 0.00 C ATOM 332 CG PHE A 23 -16.170 16.010 14.805 1.00 0.00 C ATOM 333 CD1 PHE A 23 -16.653 15.151 15.811 1.00 0.00 C ATOM 334 CD2 PHE A 23 -14.925 16.647 14.970 1.00 0.00 C ATOM 335 CE1 PHE A 23 -15.914 14.955 16.989 1.00 0.00 C ATOM 336 CE2 PHE A 23 -14.180 16.444 16.146 1.00 0.00 C ATOM 337 CZ PHE A 23 -14.679 15.603 17.158 1.00 0.00 C ATOM 0 H PHE A 23 -18.875 16.509 11.797 1.00 0.00 H new ATOM 0 HA PHE A 23 -18.750 16.585 14.748 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -17.145 15.246 13.067 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -16.408 16.820 12.844 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -17.595 14.641 15.676 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -14.542 17.292 14.193 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -16.295 14.307 17.764 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -13.226 16.933 16.272 1.00 0.00 H new ATOM 0 HZ PHE A 23 -14.112 15.456 18.065 1.00 0.00 H new ATOM 347 N GLU A 24 -18.905 19.178 13.007 1.00 0.00 N ATOM 348 CA GLU A 24 -19.079 20.644 13.076 1.00 0.00 C ATOM 349 C GLU A 24 -17.757 21.444 12.962 1.00 0.00 C ATOM 350 O GLU A 24 -17.638 22.562 13.475 1.00 0.00 O ATOM 351 CB GLU A 24 -19.911 21.050 14.312 1.00 0.00 C ATOM 352 CG GLU A 24 -21.288 20.375 14.362 1.00 0.00 C ATOM 353 CD GLU A 24 -22.112 20.910 15.540 1.00 0.00 C ATOM 354 OE1 GLU A 24 -22.025 20.342 16.656 1.00 0.00 O ATOM 355 OE2 GLU A 24 -22.858 21.902 15.363 1.00 0.00 O ATOM 0 H GLU A 24 -19.360 18.770 12.190 1.00 0.00 H new ATOM 0 HA GLU A 24 -19.644 20.922 12.187 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -19.356 20.796 15.215 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -20.044 22.132 14.313 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -21.821 20.555 13.428 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -21.166 19.296 14.457 1.00 0.00 H new ATOM 362 N CYS A 25 -16.757 20.863 12.291 1.00 0.00 N ATOM 363 CA CYS A 25 -15.417 21.430 12.060 1.00 0.00 C ATOM 364 C CYS A 25 -15.195 21.775 10.572 1.00 0.00 C ATOM 365 O CYS A 25 -15.940 21.303 9.711 1.00 0.00 O ATOM 366 CB CYS A 25 -14.380 20.423 12.586 1.00 0.00 C ATOM 367 SG CYS A 25 -14.537 20.288 14.393 1.00 0.00 S ATOM 0 H CYS A 25 -16.862 19.939 11.872 1.00 0.00 H new ATOM 0 HA CYS A 25 -15.311 22.372 12.597 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -14.534 19.449 12.122 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.374 20.747 12.320 1.00 0.00 H new ATOM 0 HG CYS A 25 -15.688 19.762 14.690 1.00 0.00 H new ATOM 373 N THR A 26 -14.171 22.571 10.241 1.00 0.00 N ATOM 374 CA THR A 26 -13.834 22.891 8.836 1.00 0.00 C ATOM 375 C THR A 26 -13.106 21.721 8.175 1.00 0.00 C ATOM 376 O THR A 26 -12.382 20.976 8.837 1.00 0.00 O ATOM 377 CB THR A 26 -13.030 24.191 8.700 1.00 0.00 C ATOM 378 OG1 THR A 26 -11.781 24.056 9.323 1.00 0.00 O ATOM 379 CG2 THR A 26 -13.752 25.390 9.311 1.00 0.00 C ATOM 0 H THR A 26 -13.555 23.010 10.925 1.00 0.00 H new ATOM 0 HA THR A 26 -14.776 23.055 8.314 1.00 0.00 H new ATOM 0 HB THR A 26 -12.909 24.372 7.632 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.895 24.095 10.296 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.141 26.284 9.188 1.00 0.00 H new ATOM 0 HG22 THR A 26 -14.709 25.533 8.809 1.00 0.00 H new ATOM 0 HG23 THR A 26 -13.922 25.210 10.372 1.00 0.00 H new ATOM 387 N GLU A 27 -13.262 21.580 6.858 1.00 0.00 N ATOM 388 CA GLU A 27 -12.636 20.498 6.075 1.00 0.00 C ATOM 389 C GLU A 27 -11.111 20.483 6.273 1.00 0.00 C ATOM 390 O GLU A 27 -10.523 19.442 6.565 1.00 0.00 O ATOM 391 CB GLU A 27 -12.980 20.662 4.582 1.00 0.00 C ATOM 392 CG GLU A 27 -14.484 20.537 4.300 1.00 0.00 C ATOM 393 CD GLU A 27 -14.779 20.709 2.803 1.00 0.00 C ATOM 394 OE1 GLU A 27 -14.756 21.861 2.306 1.00 0.00 O ATOM 395 OE2 GLU A 27 -15.047 19.698 2.113 1.00 0.00 O ATOM 0 H GLU A 27 -13.829 22.214 6.295 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.030 19.546 6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.630 21.635 4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.443 19.909 4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.841 19.563 4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.028 21.290 4.870 1.00 0.00 H new ATOM 402 N SER A 28 -10.477 21.657 6.233 1.00 0.00 N ATOM 403 CA SER A 28 -9.033 21.835 6.436 1.00 0.00 C ATOM 404 C SER A 28 -8.542 21.331 7.804 1.00 0.00 C ATOM 405 O SER A 28 -7.407 20.872 7.905 1.00 0.00 O ATOM 406 CB SER A 28 -8.669 23.321 6.282 1.00 0.00 C ATOM 407 OG SER A 28 -9.120 23.840 5.035 1.00 0.00 O ATOM 0 H SER A 28 -10.965 22.535 6.054 1.00 0.00 H new ATOM 0 HA SER A 28 -8.535 21.232 5.677 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.113 23.892 7.097 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.589 23.442 6.359 1.00 0.00 H new ATOM 0 HG SER A 28 -8.876 24.787 4.967 1.00 0.00 H new ATOM 413 N GLU A 29 -9.383 21.353 8.850 1.00 0.00 N ATOM 414 CA GLU A 29 -9.041 20.779 10.158 1.00 0.00 C ATOM 415 C GLU A 29 -9.053 19.240 10.117 1.00 0.00 C ATOM 416 O GLU A 29 -8.200 18.608 10.742 1.00 0.00 O ATOM 417 CB GLU A 29 -10.005 21.295 11.240 1.00 0.00 C ATOM 418 CG GLU A 29 -9.773 22.769 11.586 1.00 0.00 C ATOM 419 CD GLU A 29 -10.931 23.313 12.437 1.00 0.00 C ATOM 420 OE1 GLU A 29 -12.040 23.512 11.879 1.00 0.00 O ATOM 421 OE2 GLU A 29 -10.731 23.557 13.653 1.00 0.00 O ATOM 0 H GLU A 29 -10.314 21.767 8.812 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.029 21.098 10.407 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.032 21.164 10.898 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.889 20.692 12.141 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.834 22.877 12.128 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.682 23.353 10.670 1.00 0.00 H new ATOM 428 N VAL A 30 -9.953 18.632 9.335 1.00 0.00 N ATOM 429 CA VAL A 30 -9.987 17.168 9.131 1.00 0.00 C ATOM 430 C VAL A 30 -8.725 16.706 8.396 1.00 0.00 C ATOM 431 O VAL A 30 -8.135 15.687 8.752 1.00 0.00 O ATOM 432 CB VAL A 30 -11.236 16.704 8.348 1.00 0.00 C ATOM 433 CG1 VAL A 30 -11.417 15.182 8.462 1.00 0.00 C ATOM 434 CG2 VAL A 30 -12.517 17.391 8.853 1.00 0.00 C ATOM 0 H VAL A 30 -10.679 19.134 8.824 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.032 16.715 10.121 1.00 0.00 H new ATOM 0 HB VAL A 30 -11.073 16.983 7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.302 14.878 7.903 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.540 14.680 8.054 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.537 14.907 9.510 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -13.371 17.037 8.276 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.667 17.153 9.906 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.422 18.470 8.735 1.00 0.00 H new ATOM 444 N MET A 31 -8.275 17.492 7.410 1.00 0.00 N ATOM 445 CA MET A 31 -7.006 17.271 6.709 1.00 0.00 C ATOM 446 C MET A 31 -5.799 17.461 7.639 1.00 0.00 C ATOM 447 O MET A 31 -4.930 16.596 7.672 1.00 0.00 O ATOM 448 CB MET A 31 -6.905 18.215 5.499 1.00 0.00 C ATOM 449 CG MET A 31 -8.044 18.016 4.489 1.00 0.00 C ATOM 450 SD MET A 31 -8.006 19.190 3.111 1.00 0.00 S ATOM 451 CE MET A 31 -9.548 18.716 2.296 1.00 0.00 C ATOM 0 H MET A 31 -8.788 18.307 7.074 1.00 0.00 H new ATOM 0 HA MET A 31 -6.990 16.237 6.363 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.912 19.247 5.848 1.00 0.00 H new ATOM 0 HB3 MET A 31 -5.950 18.055 4.998 1.00 0.00 H new ATOM 0 HG2 MET A 31 -7.994 17.002 4.093 1.00 0.00 H new ATOM 0 HG3 MET A 31 -8.998 18.108 5.008 1.00 0.00 H new ATOM 0 HE1 MET A 31 -9.699 19.337 1.413 1.00 0.00 H new ATOM 0 HE2 MET A 31 -9.495 17.669 1.998 1.00 0.00 H new ATOM 0 HE3 MET A 31 -10.381 18.856 2.985 1.00 0.00 H new ATOM 461 N ASN A 32 -5.754 18.544 8.425 1.00 0.00 N ATOM 462 CA ASN A 32 -4.621 18.898 9.291 1.00 0.00 C ATOM 463 C ASN A 32 -4.163 17.728 10.183 1.00 0.00 C ATOM 464 O ASN A 32 -3.009 17.309 10.106 1.00 0.00 O ATOM 465 CB ASN A 32 -4.992 20.136 10.124 1.00 0.00 C ATOM 466 CG ASN A 32 -3.872 20.564 11.071 1.00 0.00 C ATOM 467 OD1 ASN A 32 -2.973 21.307 10.698 1.00 0.00 O ATOM 468 ND2 ASN A 32 -3.888 20.104 12.311 1.00 0.00 N ATOM 0 H ASN A 32 -6.521 19.214 8.478 1.00 0.00 H new ATOM 0 HA ASN A 32 -3.766 19.131 8.656 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.232 20.962 9.454 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.891 19.924 10.703 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.149 20.368 12.962 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.640 19.485 12.616 1.00 0.00 H new ATOM 475 N SER A 33 -5.057 17.147 10.988 1.00 0.00 N ATOM 476 CA SER A 33 -4.669 16.082 11.934 1.00 0.00 C ATOM 477 C SER A 33 -4.262 14.758 11.267 1.00 0.00 C ATOM 478 O SER A 33 -3.638 13.915 11.911 1.00 0.00 O ATOM 479 CB SER A 33 -5.772 15.848 12.969 1.00 0.00 C ATOM 480 OG SER A 33 -6.001 17.037 13.713 1.00 0.00 O ATOM 0 H SER A 33 -6.048 17.389 11.009 1.00 0.00 H new ATOM 0 HA SER A 33 -3.771 16.448 12.432 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.690 15.539 12.470 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.486 15.038 13.641 1.00 0.00 H new ATOM 0 HG SER A 33 -6.489 16.820 14.535 1.00 0.00 H new ATOM 486 N LEU A 34 -4.564 14.577 9.977 1.00 0.00 N ATOM 487 CA LEU A 34 -4.121 13.439 9.173 1.00 0.00 C ATOM 488 C LEU A 34 -2.843 13.746 8.368 1.00 0.00 C ATOM 489 O LEU A 34 -2.112 12.823 8.012 1.00 0.00 O ATOM 490 CB LEU A 34 -5.295 13.021 8.264 1.00 0.00 C ATOM 491 CG LEU A 34 -6.523 12.495 9.041 1.00 0.00 C ATOM 492 CD1 LEU A 34 -7.695 12.286 8.085 1.00 0.00 C ATOM 493 CD2 LEU A 34 -6.236 11.174 9.769 1.00 0.00 C ATOM 0 H LEU A 34 -5.138 15.236 9.452 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.846 12.613 9.829 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.597 13.876 7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.953 12.248 7.575 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.768 13.247 9.791 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.556 11.915 8.641 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.950 13.233 7.610 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.416 11.560 7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.131 10.849 10.299 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.948 10.414 9.043 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.425 11.321 10.483 1.00 0.00 H new ATOM 505 N TYR A 35 -2.547 15.023 8.105 1.00 0.00 N ATOM 506 CA TYR A 35 -1.412 15.479 7.290 1.00 0.00 C ATOM 507 C TYR A 35 -0.181 15.872 8.130 1.00 0.00 C ATOM 508 O TYR A 35 0.948 15.513 7.789 1.00 0.00 O ATOM 509 CB TYR A 35 -1.894 16.671 6.447 1.00 0.00 C ATOM 510 CG TYR A 35 -0.829 17.273 5.551 1.00 0.00 C ATOM 511 CD1 TYR A 35 -0.405 16.583 4.399 1.00 0.00 C ATOM 512 CD2 TYR A 35 -0.255 18.516 5.875 1.00 0.00 C ATOM 513 CE1 TYR A 35 0.595 17.129 3.571 1.00 0.00 C ATOM 514 CE2 TYR A 35 0.746 19.069 5.054 1.00 0.00 C ATOM 515 CZ TYR A 35 1.175 18.376 3.897 1.00 0.00 C ATOM 516 OH TYR A 35 2.145 18.915 3.105 1.00 0.00 O ATOM 0 H TYR A 35 -3.109 15.795 8.465 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.083 14.654 6.658 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.732 16.349 5.829 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.270 17.445 7.116 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.849 15.631 4.149 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.583 19.047 6.756 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.918 16.596 2.689 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.187 20.022 5.307 1.00 0.00 H new ATOM 0 HH TYR A 35 2.430 19.776 3.477 1.00 0.00 H new ATOM 526 N SER A 36 -0.385 16.609 9.224 1.00 0.00 N ATOM 527 CA SER A 36 0.680 17.229 10.030 1.00 0.00 C ATOM 528 C SER A 36 0.483 17.112 11.556 1.00 0.00 C ATOM 529 O SER A 36 1.438 17.341 12.306 1.00 0.00 O ATOM 530 CB SER A 36 0.807 18.710 9.632 1.00 0.00 C ATOM 531 OG SER A 36 -0.433 19.395 9.776 1.00 0.00 O ATOM 0 H SER A 36 -1.319 16.799 9.587 1.00 0.00 H new ATOM 0 HA SER A 36 1.593 16.676 9.813 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.564 19.191 10.251 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.147 18.783 8.599 1.00 0.00 H new ATOM 0 HG SER A 36 -0.320 20.333 9.517 1.00 0.00 H new ATOM 537 N GLY A 37 -0.715 16.731 12.028 1.00 0.00 N ATOM 538 CA GLY A 37 -0.976 16.375 13.430 1.00 0.00 C ATOM 539 C GLY A 37 -0.674 14.898 13.694 1.00 0.00 C ATOM 540 O GLY A 37 0.377 14.388 13.298 1.00 0.00 O ATOM 0 H GLY A 37 -1.542 16.661 11.435 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.365 16.996 14.085 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.018 16.584 13.673 1.00 0.00 H new ATOM 544 N ASP A 38 -1.590 14.204 14.372 1.00 0.00 N ATOM 545 CA ASP A 38 -1.480 12.775 14.693 1.00 0.00 C ATOM 546 C ASP A 38 -2.848 12.058 14.551 1.00 0.00 C ATOM 547 O ASP A 38 -3.858 12.621 14.983 1.00 0.00 O ATOM 548 CB ASP A 38 -0.924 12.643 16.118 1.00 0.00 C ATOM 549 CG ASP A 38 -0.677 11.178 16.502 1.00 0.00 C ATOM 550 OD1 ASP A 38 -1.659 10.487 16.857 1.00 0.00 O ATOM 551 OD2 ASP A 38 0.490 10.726 16.423 1.00 0.00 O ATOM 0 H ASP A 38 -2.449 14.627 14.722 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.803 12.291 13.989 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.009 13.201 16.197 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.624 13.090 16.824 1.00 0.00 H new ATOM 556 N PRO A 39 -2.906 10.820 14.003 1.00 0.00 N ATOM 557 CA PRO A 39 -4.140 10.046 13.828 1.00 0.00 C ATOM 558 C PRO A 39 -4.994 9.785 15.086 1.00 0.00 C ATOM 559 O PRO A 39 -6.138 9.355 14.947 1.00 0.00 O ATOM 560 CB PRO A 39 -3.710 8.714 13.207 1.00 0.00 C ATOM 561 CG PRO A 39 -2.453 9.083 12.429 1.00 0.00 C ATOM 562 CD PRO A 39 -1.810 10.138 13.321 1.00 0.00 C ATOM 0 HA PRO A 39 -4.806 10.646 13.208 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.506 7.962 13.969 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.482 8.306 12.555 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.800 8.223 12.282 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.689 9.477 11.440 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.131 9.679 14.039 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -1.222 10.841 12.731 1.00 0.00 H new ATOM 570 N GLN A 40 -4.473 10.009 16.299 1.00 0.00 N ATOM 571 CA GLN A 40 -5.216 9.849 17.561 1.00 0.00 C ATOM 572 C GLN A 40 -5.915 11.149 18.022 1.00 0.00 C ATOM 573 O GLN A 40 -6.638 11.136 19.023 1.00 0.00 O ATOM 574 CB GLN A 40 -4.269 9.320 18.655 1.00 0.00 C ATOM 575 CG GLN A 40 -3.617 7.959 18.342 1.00 0.00 C ATOM 576 CD GLN A 40 -4.631 6.816 18.253 1.00 0.00 C ATOM 577 OE1 GLN A 40 -4.980 6.179 19.242 1.00 0.00 O ATOM 578 NE2 GLN A 40 -5.160 6.516 17.080 1.00 0.00 N ATOM 0 H GLN A 40 -3.509 10.311 16.436 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.012 9.126 17.380 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.481 10.055 18.821 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.826 9.234 19.588 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.075 8.030 17.399 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.884 7.727 19.115 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.882 7.035 16.247 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.847 5.765 17.007 1.00 0.00 H new ATOM 587 N ASP A 41 -5.731 12.265 17.310 1.00 0.00 N ATOM 588 CA ASP A 41 -6.442 13.530 17.535 1.00 0.00 C ATOM 589 C ASP A 41 -7.947 13.430 17.199 1.00 0.00 C ATOM 590 O ASP A 41 -8.358 12.675 16.316 1.00 0.00 O ATOM 591 CB ASP A 41 -5.771 14.630 16.705 1.00 0.00 C ATOM 592 CG ASP A 41 -6.502 15.969 16.832 1.00 0.00 C ATOM 593 OD1 ASP A 41 -6.344 16.645 17.874 1.00 0.00 O ATOM 594 OD2 ASP A 41 -7.263 16.301 15.892 1.00 0.00 O ATOM 0 H ASP A 41 -5.065 12.316 16.539 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.382 13.772 18.596 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.737 14.749 17.029 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.744 14.329 15.658 1.00 0.00 H new ATOM 599 N GLN A 42 -8.772 14.235 17.880 1.00 0.00 N ATOM 600 CA GLN A 42 -10.236 14.243 17.745 1.00 0.00 C ATOM 601 C GLN A 42 -10.731 14.382 16.293 1.00 0.00 C ATOM 602 O GLN A 42 -11.691 13.711 15.925 1.00 0.00 O ATOM 603 CB GLN A 42 -10.814 15.380 18.609 1.00 0.00 C ATOM 604 CG GLN A 42 -10.627 15.152 20.119 1.00 0.00 C ATOM 605 CD GLN A 42 -11.279 16.263 20.950 1.00 0.00 C ATOM 606 OE1 GLN A 42 -10.640 17.220 21.373 1.00 0.00 O ATOM 607 NE2 GLN A 42 -12.572 16.193 21.207 1.00 0.00 N ATOM 0 H GLN A 42 -8.432 14.917 18.558 1.00 0.00 H new ATOM 0 HA GLN A 42 -10.590 13.271 18.088 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.337 16.319 18.328 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.877 15.486 18.394 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -11.058 14.190 20.397 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.563 15.103 20.350 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.118 15.404 20.863 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.025 16.928 21.750 1.00 0.00 H new ATOM 616 N LEU A 43 -10.071 15.185 15.446 1.00 0.00 N ATOM 617 CA LEU A 43 -10.449 15.370 14.032 1.00 0.00 C ATOM 618 C LEU A 43 -10.137 14.131 13.180 1.00 0.00 C ATOM 619 O LEU A 43 -10.922 13.754 12.310 1.00 0.00 O ATOM 620 CB LEU A 43 -9.707 16.610 13.504 1.00 0.00 C ATOM 621 CG LEU A 43 -10.214 17.929 14.131 1.00 0.00 C ATOM 622 CD1 LEU A 43 -9.090 18.971 14.204 1.00 0.00 C ATOM 623 CD2 LEU A 43 -11.410 18.467 13.336 1.00 0.00 C ATOM 0 H LEU A 43 -9.254 15.729 15.722 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.527 15.515 13.963 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.642 16.503 13.708 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.821 16.661 12.421 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.540 17.723 15.150 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.473 19.889 14.649 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.275 18.584 14.815 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.722 19.181 13.200 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.758 19.396 13.787 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.107 18.655 12.306 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -12.216 17.733 13.349 1.00 0.00 H new ATOM 635 N ALA A 44 -9.016 13.458 13.460 1.00 0.00 N ATOM 636 CA ALA A 44 -8.655 12.184 12.835 1.00 0.00 C ATOM 637 C ALA A 44 -9.529 11.020 13.344 1.00 0.00 C ATOM 638 O ALA A 44 -9.961 10.175 12.558 1.00 0.00 O ATOM 639 CB ALA A 44 -7.166 11.937 13.091 1.00 0.00 C ATOM 0 H ALA A 44 -8.326 13.788 14.135 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.840 12.238 11.762 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.870 10.992 12.635 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.583 12.748 12.656 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.984 11.894 14.165 1.00 0.00 H new ATOM 645 N VAL A 45 -9.846 11.008 14.641 1.00 0.00 N ATOM 646 CA VAL A 45 -10.804 10.074 15.258 1.00 0.00 C ATOM 647 C VAL A 45 -12.208 10.258 14.656 1.00 0.00 C ATOM 648 O VAL A 45 -12.815 9.262 14.277 1.00 0.00 O ATOM 649 CB VAL A 45 -10.805 10.210 16.801 1.00 0.00 C ATOM 650 CG1 VAL A 45 -11.967 9.469 17.482 1.00 0.00 C ATOM 651 CG2 VAL A 45 -9.490 9.658 17.384 1.00 0.00 C ATOM 0 H VAL A 45 -9.437 11.660 15.310 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.486 9.056 15.033 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.918 11.275 17.002 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.904 9.608 18.561 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.915 9.867 17.119 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.907 8.406 17.249 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.502 9.759 18.469 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.388 8.606 17.119 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.648 10.218 16.977 1.00 0.00 H new ATOM 661 N ALA A 46 -12.699 11.495 14.480 1.00 0.00 N ATOM 662 CA ALA A 46 -13.956 11.780 13.779 1.00 0.00 C ATOM 663 C ALA A 46 -13.957 11.204 12.355 1.00 0.00 C ATOM 664 O ALA A 46 -14.862 10.453 11.999 1.00 0.00 O ATOM 665 CB ALA A 46 -14.197 13.294 13.789 1.00 0.00 C ATOM 0 H ALA A 46 -12.228 12.332 14.825 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.778 11.288 14.300 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.129 13.517 13.270 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.261 13.645 14.819 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.372 13.797 13.285 1.00 0.00 H new ATOM 671 N TYR A 47 -12.910 11.474 11.566 1.00 0.00 N ATOM 672 CA TYR A 47 -12.710 10.852 10.250 1.00 0.00 C ATOM 673 C TYR A 47 -12.770 9.314 10.315 1.00 0.00 C ATOM 674 O TYR A 47 -13.533 8.708 9.569 1.00 0.00 O ATOM 675 CB TYR A 47 -11.397 11.362 9.635 1.00 0.00 C ATOM 676 CG TYR A 47 -10.907 10.541 8.458 1.00 0.00 C ATOM 677 CD1 TYR A 47 -11.452 10.739 7.177 1.00 0.00 C ATOM 678 CD2 TYR A 47 -9.939 9.537 8.666 1.00 0.00 C ATOM 679 CE1 TYR A 47 -11.042 9.919 6.107 1.00 0.00 C ATOM 680 CE2 TYR A 47 -9.523 8.717 7.602 1.00 0.00 C ATOM 681 CZ TYR A 47 -10.086 8.900 6.318 1.00 0.00 C ATOM 682 OH TYR A 47 -9.739 8.075 5.292 1.00 0.00 O ATOM 0 H TYR A 47 -12.175 12.132 11.823 1.00 0.00 H new ATOM 0 HA TYR A 47 -13.533 11.147 9.599 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.536 12.394 9.312 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.626 11.370 10.405 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.183 11.517 7.014 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.514 9.397 9.649 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.460 10.070 5.123 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -8.778 7.952 7.765 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.069 7.430 5.603 1.00 0.00 H new ATOM 692 N HIS A 48 -12.037 8.675 11.229 1.00 0.00 N ATOM 693 CA HIS A 48 -12.023 7.212 11.353 1.00 0.00 C ATOM 694 C HIS A 48 -13.419 6.640 11.689 1.00 0.00 C ATOM 695 O HIS A 48 -13.879 5.711 11.026 1.00 0.00 O ATOM 696 CB HIS A 48 -10.981 6.808 12.408 1.00 0.00 C ATOM 697 CG HIS A 48 -10.588 5.347 12.361 1.00 0.00 C ATOM 698 ND1 HIS A 48 -11.420 4.248 12.267 1.00 0.00 N ATOM 699 CD2 HIS A 48 -9.305 4.863 12.408 1.00 0.00 C ATOM 700 CE1 HIS A 48 -10.656 3.144 12.253 1.00 0.00 C ATOM 701 NE2 HIS A 48 -9.351 3.465 12.338 1.00 0.00 N ATOM 0 H HIS A 48 -11.438 9.153 11.902 1.00 0.00 H new ATOM 0 HA HIS A 48 -11.747 6.784 10.389 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.088 7.418 12.273 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.375 7.035 13.398 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -12.439 4.271 12.217 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.409 5.461 12.486 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -11.036 2.136 12.183 1.00 0.00 H new ATOM 709 N LEU A 49 -14.118 7.226 12.670 1.00 0.00 N ATOM 710 CA LEU A 49 -15.464 6.822 13.096 1.00 0.00 C ATOM 711 C LEU A 49 -16.515 7.049 12.004 1.00 0.00 C ATOM 712 O LEU A 49 -17.462 6.272 11.908 1.00 0.00 O ATOM 713 CB LEU A 49 -15.828 7.589 14.386 1.00 0.00 C ATOM 714 CG LEU A 49 -15.432 6.880 15.703 1.00 0.00 C ATOM 715 CD1 LEU A 49 -13.978 6.382 15.767 1.00 0.00 C ATOM 716 CD2 LEU A 49 -15.693 7.834 16.878 1.00 0.00 C ATOM 0 H LEU A 49 -13.753 8.015 13.203 1.00 0.00 H new ATOM 0 HA LEU A 49 -15.458 5.750 13.291 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -15.346 8.566 14.358 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -16.904 7.765 14.395 1.00 0.00 H new ATOM 0 HG LEU A 49 -16.049 5.983 15.756 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -13.800 5.900 16.729 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.803 5.665 14.964 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -13.299 7.227 15.653 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.417 7.345 17.812 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.097 8.738 16.752 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -16.750 8.098 16.905 1.00 0.00 H new ATOM 728 N ILE A 50 -16.357 8.080 11.170 1.00 0.00 N ATOM 729 CA ILE A 50 -17.271 8.377 10.052 1.00 0.00 C ATOM 730 C ILE A 50 -16.981 7.482 8.837 1.00 0.00 C ATOM 731 O ILE A 50 -17.922 7.040 8.183 1.00 0.00 O ATOM 732 CB ILE A 50 -17.250 9.900 9.780 1.00 0.00 C ATOM 733 CG1 ILE A 50 -17.990 10.585 10.962 1.00 0.00 C ATOM 734 CG2 ILE A 50 -17.892 10.277 8.433 1.00 0.00 C ATOM 735 CD1 ILE A 50 -17.810 12.098 11.033 1.00 0.00 C ATOM 0 H ILE A 50 -15.585 8.742 11.248 1.00 0.00 H new ATOM 0 HA ILE A 50 -18.299 8.126 10.312 1.00 0.00 H new ATOM 0 HB ILE A 50 -16.217 10.240 9.710 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -19.054 10.362 10.885 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -17.639 10.146 11.896 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -17.848 11.358 8.299 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -17.351 9.788 7.623 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -18.933 9.953 8.422 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -18.361 12.490 11.888 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -16.752 12.334 11.144 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -18.189 12.553 10.118 1.00 0.00 H new ATOM 747 N ILE A 51 -15.714 7.133 8.580 1.00 0.00 N ATOM 748 CA ILE A 51 -15.325 6.101 7.594 1.00 0.00 C ATOM 749 C ILE A 51 -15.924 4.746 8.009 1.00 0.00 C ATOM 750 O ILE A 51 -16.515 4.073 7.171 1.00 0.00 O ATOM 751 CB ILE A 51 -13.779 6.038 7.477 1.00 0.00 C ATOM 752 CG1 ILE A 51 -13.199 7.229 6.677 1.00 0.00 C ATOM 753 CG2 ILE A 51 -13.258 4.703 6.907 1.00 0.00 C ATOM 754 CD1 ILE A 51 -13.272 7.126 5.146 1.00 0.00 C ATOM 0 H ILE A 51 -14.917 7.560 9.053 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.718 6.357 6.610 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.420 6.108 8.504 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.724 8.134 6.984 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -12.154 7.355 6.961 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.170 4.730 6.854 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.569 3.884 7.556 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.667 4.550 5.908 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -12.835 8.019 4.700 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -12.720 6.247 4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.313 7.038 4.836 1.00 0.00 H new ATOM 766 N ASP A 52 -15.840 4.367 9.288 1.00 0.00 N ATOM 767 CA ASP A 52 -16.478 3.148 9.803 1.00 0.00 C ATOM 768 C ASP A 52 -18.008 3.219 9.709 1.00 0.00 C ATOM 769 O ASP A 52 -18.633 2.263 9.254 1.00 0.00 O ATOM 770 CB ASP A 52 -16.076 2.878 11.260 1.00 0.00 C ATOM 771 CG ASP A 52 -14.603 2.484 11.457 1.00 0.00 C ATOM 772 OD1 ASP A 52 -14.074 1.666 10.666 1.00 0.00 O ATOM 773 OD2 ASP A 52 -13.998 2.943 12.456 1.00 0.00 O ATOM 0 H ASP A 52 -15.329 4.895 9.996 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.126 2.329 9.175 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.281 3.771 11.851 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.707 2.082 11.655 1.00 0.00 H new ATOM 778 N ASN A 53 -18.624 4.347 10.084 1.00 0.00 N ATOM 779 CA ASN A 53 -20.075 4.537 9.976 1.00 0.00 C ATOM 780 C ASN A 53 -20.550 4.339 8.524 1.00 0.00 C ATOM 781 O ASN A 53 -21.502 3.594 8.284 1.00 0.00 O ATOM 782 CB ASN A 53 -20.464 5.921 10.526 1.00 0.00 C ATOM 783 CG ASN A 53 -21.974 6.060 10.658 1.00 0.00 C ATOM 784 OD1 ASN A 53 -22.656 6.543 9.762 1.00 0.00 O ATOM 785 ND2 ASN A 53 -22.534 5.612 11.766 1.00 0.00 N ATOM 0 H ASN A 53 -18.131 5.152 10.470 1.00 0.00 H new ATOM 0 HA ASN A 53 -20.579 3.782 10.579 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -19.996 6.072 11.499 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -20.082 6.698 9.864 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -23.546 5.666 11.884 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -21.955 5.212 12.504 1.00 0.00 H new ATOM 792 N ARG A 54 -19.815 4.911 7.563 1.00 0.00 N ATOM 793 CA ARG A 54 -20.009 4.778 6.113 1.00 0.00 C ATOM 794 C ARG A 54 -19.792 3.340 5.602 1.00 0.00 C ATOM 795 O ARG A 54 -20.608 2.834 4.831 1.00 0.00 O ATOM 796 CB ARG A 54 -19.049 5.793 5.459 1.00 0.00 C ATOM 797 CG ARG A 54 -19.021 5.813 3.928 1.00 0.00 C ATOM 798 CD ARG A 54 -17.984 6.848 3.468 1.00 0.00 C ATOM 799 NE ARG A 54 -17.843 6.842 1.998 1.00 0.00 N ATOM 800 CZ ARG A 54 -16.719 6.872 1.289 1.00 0.00 C ATOM 801 NH1 ARG A 54 -15.529 6.813 1.845 1.00 0.00 N ATOM 802 NH2 ARG A 54 -16.763 6.974 -0.019 1.00 0.00 N ATOM 0 H ARG A 54 -19.024 5.514 7.789 1.00 0.00 H new ATOM 0 HA ARG A 54 -21.044 4.991 5.845 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -19.316 6.790 5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -18.040 5.589 5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -18.767 4.826 3.542 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -20.006 6.065 3.535 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -18.283 7.841 3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -17.021 6.632 3.930 1.00 0.00 H new ATOM 0 HE ARG A 54 -18.711 6.811 1.463 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.443 6.741 2.859 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.692 6.839 1.263 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.663 7.031 -0.496 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.897 6.997 -0.558 1.00 0.00 H new ATOM 816 N ARG A 55 -18.719 2.672 6.042 1.00 0.00 N ATOM 817 CA ARG A 55 -18.275 1.361 5.536 1.00 0.00 C ATOM 818 C ARG A 55 -19.038 0.177 6.153 1.00 0.00 C ATOM 819 O ARG A 55 -19.411 -0.744 5.428 1.00 0.00 O ATOM 820 CB ARG A 55 -16.759 1.245 5.785 1.00 0.00 C ATOM 821 CG ARG A 55 -16.087 -0.051 5.297 1.00 0.00 C ATOM 822 CD ARG A 55 -16.111 -0.271 3.775 1.00 0.00 C ATOM 823 NE ARG A 55 -17.412 -0.779 3.298 1.00 0.00 N ATOM 824 CZ ARG A 55 -17.794 -0.917 2.035 1.00 0.00 C ATOM 825 NH1 ARG A 55 -17.000 -0.621 1.026 1.00 0.00 N ATOM 826 NH2 ARG A 55 -19.002 -1.363 1.773 1.00 0.00 N ATOM 0 H ARG A 55 -18.117 3.036 6.780 1.00 0.00 H new ATOM 0 HA ARG A 55 -18.495 1.309 4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -16.267 2.089 5.302 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -16.579 1.342 6.856 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -15.049 -0.051 5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -16.577 -0.898 5.778 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.885 0.669 3.272 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.326 -0.976 3.501 1.00 0.00 H new ATOM 0 HE ARG A 55 -18.087 -1.052 4.013 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.058 -0.273 1.204 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.328 -0.740 0.067 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -19.635 -1.599 2.537 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -19.306 -1.473 0.806 1.00 0.00 H new ATOM 840 N ILE A 56 -19.272 0.192 7.468 1.00 0.00 N ATOM 841 CA ILE A 56 -20.017 -0.854 8.202 1.00 0.00 C ATOM 842 C ILE A 56 -21.540 -0.654 8.063 1.00 0.00 C ATOM 843 O ILE A 56 -22.287 -1.634 8.098 1.00 0.00 O ATOM 844 CB ILE A 56 -19.561 -0.875 9.688 1.00 0.00 C ATOM 845 CG1 ILE A 56 -18.026 -1.010 9.855 1.00 0.00 C ATOM 846 CG2 ILE A 56 -20.259 -1.993 10.490 1.00 0.00 C ATOM 847 CD1 ILE A 56 -17.387 -2.237 9.185 1.00 0.00 C ATOM 0 H ILE A 56 -18.945 0.946 8.072 1.00 0.00 H new ATOM 0 HA ILE A 56 -19.792 -1.827 7.765 1.00 0.00 H new ATOM 0 HB ILE A 56 -19.858 0.095 10.087 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -17.555 -0.113 9.453 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.796 -1.040 10.920 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -19.911 -1.971 11.523 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.338 -1.838 10.467 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -20.022 -2.961 10.048 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -16.312 -2.231 9.365 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.820 -3.146 9.602 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -17.575 -2.205 8.112 1.00 0.00 H new ATOM 859 N MET A 57 -21.979 0.601 7.876 1.00 0.00 N ATOM 860 CA MET A 57 -23.375 1.059 7.681 1.00 0.00 C ATOM 861 C MET A 57 -24.074 1.210 9.048 1.00 0.00 C ATOM 862 O MET A 57 -25.122 0.619 9.315 1.00 0.00 O ATOM 863 CB MET A 57 -24.138 0.191 6.654 1.00 0.00 C ATOM 864 CG MET A 57 -25.358 0.921 6.078 1.00 0.00 C ATOM 865 SD MET A 57 -26.246 -0.034 4.825 1.00 0.00 S ATOM 866 CE MET A 57 -27.567 1.148 4.453 1.00 0.00 C ATOM 0 H MET A 57 -21.325 1.383 7.855 1.00 0.00 H new ATOM 0 HA MET A 57 -23.369 2.050 7.228 1.00 0.00 H new ATOM 0 HB2 MET A 57 -23.465 -0.086 5.843 1.00 0.00 H new ATOM 0 HB3 MET A 57 -24.461 -0.735 7.131 1.00 0.00 H new ATOM 0 HG2 MET A 57 -26.043 1.164 6.890 1.00 0.00 H new ATOM 0 HG3 MET A 57 -25.033 1.865 5.641 1.00 0.00 H new ATOM 0 HE1 MET A 57 -28.225 0.730 3.691 1.00 0.00 H new ATOM 0 HE2 MET A 57 -28.141 1.349 5.358 1.00 0.00 H new ATOM 0 HE3 MET A 57 -27.131 2.077 4.086 1.00 0.00 H new ATOM 876 N ASN A 58 -23.415 1.985 9.919 1.00 0.00 N ATOM 877 CA ASN A 58 -23.651 2.211 11.353 1.00 0.00 C ATOM 878 C ASN A 58 -23.060 1.093 12.236 1.00 0.00 C ATOM 879 O ASN A 58 -23.201 -0.099 11.950 1.00 0.00 O ATOM 880 CB ASN A 58 -25.123 2.495 11.720 1.00 0.00 C ATOM 881 CG ASN A 58 -25.674 3.731 11.014 1.00 0.00 C ATOM 882 OD1 ASN A 58 -25.423 4.857 11.424 1.00 0.00 O ATOM 883 ND2 ASN A 58 -26.419 3.555 9.938 1.00 0.00 N ATOM 0 H ASN A 58 -22.614 2.530 9.601 1.00 0.00 H new ATOM 0 HA ASN A 58 -23.108 3.131 11.571 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -25.732 1.630 11.459 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -25.206 2.630 12.798 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -26.792 4.362 9.439 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -26.621 2.612 9.606 1.00 0.00 H new ATOM 890 N GLN A 59 -22.392 1.498 13.319 1.00 0.00 N ATOM 891 CA GLN A 59 -21.766 0.618 14.305 1.00 0.00 C ATOM 892 C GLN A 59 -22.802 0.027 15.287 1.00 0.00 C ATOM 893 O GLN A 59 -23.887 0.583 15.480 1.00 0.00 O ATOM 894 CB GLN A 59 -20.679 1.400 15.075 1.00 0.00 C ATOM 895 CG GLN A 59 -19.493 1.881 14.209 1.00 0.00 C ATOM 896 CD GLN A 59 -19.638 3.280 13.590 1.00 0.00 C ATOM 897 OE1 GLN A 59 -20.711 3.736 13.205 1.00 0.00 O ATOM 898 NE2 GLN A 59 -18.550 4.009 13.465 1.00 0.00 N ATOM 0 H GLN A 59 -22.268 2.486 13.540 1.00 0.00 H new ATOM 0 HA GLN A 59 -21.311 -0.218 13.775 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -21.141 2.267 15.548 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -20.294 0.768 15.875 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.592 1.868 14.822 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -19.341 1.162 13.404 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -17.652 3.643 13.781 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -18.605 4.940 13.053 1.00 0.00 H new ATOM 907 N ALA A 60 -22.452 -1.095 15.929 1.00 0.00 N ATOM 908 CA ALA A 60 -23.272 -1.734 16.966 1.00 0.00 C ATOM 909 C ALA A 60 -23.229 -0.977 18.312 1.00 0.00 C ATOM 910 O ALA A 60 -22.318 -0.191 18.584 1.00 0.00 O ATOM 911 CB ALA A 60 -22.812 -3.190 17.116 1.00 0.00 C ATOM 0 H ALA A 60 -21.581 -1.591 15.740 1.00 0.00 H new ATOM 0 HA ALA A 60 -24.317 -1.706 16.656 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -23.409 -3.683 17.883 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -22.938 -3.711 16.167 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -21.761 -3.212 17.405 1.00 0.00 H new ATOM 917 N SER A 61 -24.207 -1.245 19.179 1.00 0.00 N ATOM 918 CA SER A 61 -24.363 -0.570 20.483 1.00 0.00 C ATOM 919 C SER A 61 -23.343 -1.011 21.556 1.00 0.00 C ATOM 920 O SER A 61 -23.200 -0.340 22.584 1.00 0.00 O ATOM 921 CB SER A 61 -25.786 -0.815 21.013 1.00 0.00 C ATOM 922 OG SER A 61 -26.781 -0.439 20.064 1.00 0.00 O ATOM 0 H SER A 61 -24.926 -1.945 18.999 1.00 0.00 H new ATOM 0 HA SER A 61 -24.176 0.488 20.300 1.00 0.00 H new ATOM 0 HB2 SER A 61 -25.903 -1.869 21.263 1.00 0.00 H new ATOM 0 HB3 SER A 61 -25.932 -0.251 21.934 1.00 0.00 H new ATOM 0 HG SER A 61 -27.671 -0.611 20.437 1.00 0.00 H new ATOM 928 N GLU A 62 -22.634 -2.130 21.334 1.00 0.00 N ATOM 929 CA GLU A 62 -21.679 -2.780 22.257 1.00 0.00 C ATOM 930 C GLU A 62 -20.740 -3.790 21.562 1.00 0.00 C ATOM 931 O GLU A 62 -19.604 -3.975 22.059 1.00 0.00 O ATOM 932 CB GLU A 62 -22.417 -3.433 23.447 1.00 0.00 C ATOM 933 CG GLU A 62 -23.389 -4.565 23.068 1.00 0.00 C ATOM 934 CD GLU A 62 -24.102 -5.128 24.318 1.00 0.00 C ATOM 935 OE1 GLU A 62 -23.554 -6.041 24.986 1.00 0.00 O ATOM 936 OE2 GLU A 62 -25.228 -4.673 24.646 1.00 0.00 O ATOM 937 OXT GLU A 62 -21.117 -4.377 20.518 1.00 0.00 O ATOM 0 H GLU A 62 -22.715 -2.638 20.453 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.036 -1.986 22.636 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -21.676 -3.828 24.142 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -22.972 -2.660 23.979 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.129 -4.191 22.361 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -22.844 -5.364 22.566 1.00 0.00 H new TER 944 GLU A 62